Pseudopotentials
Posted: Wed Apr 03, 2019 10:52 am
I am repeating the calculations on this paper:Raman scattering intensities in BaTiO3 and PbTiO3 prototypical ferroelectrics from density functional theory.
Highly transferable Teter pseudopotentials were Mentioned in the literature,But in my bag some pseudopotential I do not know how to choose and change.please give me some advice. References are Additional condition for transferability in pseudopotentials.
Highly transferable Teter pseudopotentials were Mentioned in the literature,But in my bag some pseudopotential I do not know how to choose and change.please give me some advice. References are Additional condition for transferability in pseudopotentials.